1-(4-butylphenyl)-3-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[4-[(6-chloro-3-pyridazinyl)amino]phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiourea Formula: C21H22ClN5S MolecularWeight: 411.95088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5S/c1-2-3-4-15-5-7-17(8-6-15)24-21(28)25-18-11-9-16(10-12-18)23-20-14-13-19(22)26-27-20/h5-14H,2-4H2,1H3,(H,23,27)(H2,24,25,28)